SCHEMBL2464158

SCHEMBL2464158

CCN(CC)C(=O)c1cnn2c(O)cc(-c3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
ALDH1A1 P00352 8/20 0.55
HPGD P15428 7/20 0.55
HSD17B10 Q99714 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TSHR P16473 3/20 0.50
MAPT P10636 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE11A Q9HCR9 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2459037 0.84 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2459298 0.83 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2464483 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2463270 0.81 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2459588 0.81 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2461459 0.80 HPGD (0.70) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2459547 0.80 LMNA (0.57) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2456621 0.78 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2490618 0.77 TSHR (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2461515 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US claimed
EP-1948663-B1 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-09-14 EP claimed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US claimed
EP-1948663-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP claimed
WO-2007048066-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO claimed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US disclosed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US disclosed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US disclosed
EP-1948663-B1 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-09-14 EP disclosed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US disclosed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US disclosed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US disclosed
WO-2007048066-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators CSNK1A1, CSNK2A1, CSNK2A2 KDM4E 2885/4885ALDH1A1 4176/4885HPGD 3821/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.